The origin of high Na<sup>+</sup> ion conductivity in Na<sub>1+<i>x</i></sub>Zr<sub>2</sub>Si<sub><i>x</i></sub>P<sub>3−<i>x</i></sub>O<sub>12</sub> NASICON materials
Judith Schuett, Fiona Pescher, Steffen Grieshammer
Abstract
Ionic conductivity in NASICON Na 1+ x Zr 2 Si x P 3− x O 12 from density functional theory and Monte Carlo simulations.
Topics & Concepts
IonConductivitySodiumIonic conductivityFast ion conductorSiliconChemistryIonic bondingKinetic energyAnalytical Chemistry (journal)Chemical physicsElectrolyteMaterials scienceInorganic chemistryPhysical chemistryPhysicsElectrodeOrganic chemistryChromatographyQuantum mechanicsAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsThermal Expansion and Ionic Conductivity